1-[(1S)-2,2-Dimethylcyclopropyl]-5-Methyl-Hexane-1-Thione

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Properties Simple | Detailed

Formula C12H22S
IUPAC Name 1-[(1s)-2,2-dimethylcyclopropyl]-5-methyl-hexane-1-thione
Molecular Mass 198.368 g·mol−1
Heat of Formation -22.8 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 291.31 Å 3
Surface Area 265.05 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey PERDLDBADLDSPL-SNVBAGLBSA-N
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Elements H C S